SCHEMBL7682137

SCHEMBL7682137

C=CCN(C)CCCCCCOC1CCN(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.82
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5045824 0.99 LSS (0.80) LSSMEN1KMT2A
SCHEMBL6446150 0.96 LSS (0.75) LSSMEN1KMT2A
Fumaric Acid SCHEMBL5038630 0.92 LSS (0.70) LSSMEN1KMT2A
Fumaric Acid SCHEMBL5038627 0.92 LSS (0.70) LSSMEN1KMT2A
SCHEMBL17358778 0.90 LSS (1.00) LSSMEN1KMT2A
SCHEMBL5043394 0.89 LSS (0.80) LSSMEN1KMT2A
SCHEMBL6446420 0.87 LSS (0.62) LSSMEN1KMT2A
SCHEMBL7687746 0.87 LSS (0.62) LSSMEN1KMT2A
Hydrochloric Acid SCHEMBL7687496 0.86 LSS (0.61) LSSMEN1KMT2A
SCHEMBL4805100 0.82 LSS (0.58) LSSMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed